1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane
TL;DR: 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane (CAS 4459-18-1) is a chemical compound with molecular formula C4F9I and molecular weight 345.89 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane
Also Known As: Iodononafluoro-t-butane, perfluoro-tert-butyl iodide, iodoperfluoro-tert-butane, Perfluoro-t-butyliodide, 4-Nitrophenylboronicacid
| Molecular Formula | C4F9I |
|---|---|
| Molecular Weight | 345.89 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 0 |
| Exact Mass | 345.8901 |
| Heavy Atoms | 14 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 4459-18-1 |
|---|---|
| SMILES | C(C(F)(F)F)(C(F)(F)F)(C(F)(F)F)I |
| InChIKey | WIKBZUXHNPONPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane (CAS 4459-18-1), with molecular formula C4F9I and molecular weight 345.89 g/mol. IUPAC: 1,1,1,3,3,3-hexafluoro-2-iodo-2-(trifluoromethyl)propane.
Chemical Property Profile of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane
Property Insights of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane
The XLogP value of 4.4 indicates that 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane?
The CAS number of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane is 4459-18-1.
What is the molecular formula of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane?
The molecular formula of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane is C4F9I.
What is the molecular weight of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane?
The molecular weight of 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane is 345.89 g/mol.
Where can I buy 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane?
You can request a quote for 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1,3,3,3-Hexafluoro-2-iodo-2-(trifluoromethyl)propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.